1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate

C183H234F3N18O68P9 — CID 165062158

About 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate

1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate (PubChem CID 165062158) has the molecular formula C183H234F3N18O68P9 and a molecular weight of 4109.70 g/mol. Its IUPAC name is 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate.

Molecular Properties

• Compound Name: 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate
• PubChem CID: 165062158
• Molecular Formula: C183H234F3N18O68P9
• Molecular Weight: 4109.70 g/mol
• Exact Mass: 4107.30
• IUPAC Name: 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate
• SMILES: CC(C)OC(=O)c1ccccc1COP1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)C[C@@H]2O1.CC(C)OC(=O)c1ccccc1COP1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(F)[C@@H]2O1.CCCCCCCCCOP1(=O)OC[C@H]2O[C@@H](n3ccc(C)nc3=O)C[C@@H]2O1.CCCCCCCCOP1(=O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)CC3=O)C[C@@H]2O1.CCCCCCCCOP1(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)C[C@@H]2O1.CCCOC(=O)c1ccccc1COP1(=O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)CC3=O)C[C@@H]2O1.Cc1ccn([C@@H]2O[C@@H]3COP(=O)(OCc4ccccc4C(=O)OC(C)C)O[C@H]3C2(F)F)c(=O)n1.Cc1ccn([C@@H]2O[C@@H]3COP(=O)(OCc4ccccc4C(=O)OC(C)C)O[C@H]3[C@@H]2O)c(=O)n1.Nc1ccnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(OCCc3ccccc3)OC[C@H]2O1
• InChI: InChI=1S/C22H25FNO9P.C22H26NO9P.C21H23F2N2O8P.C21H25N2O9P.C21H24NO9P.C19H29N4O6P.C19H21N4O5P.C19H31N2O6P.C19H30NO7P/c1-13(2)31-20(27)16-7-5-4-6-14(16)11-29-34(28)30-12-17-19(33-34)22(3,23)21(32-17)24-9-8-15(25)10-18(24)26;1-3-8-28-22(26)16-7-5-4-6-15(16)12-29-33(27)30-13-19-18(32-33)10-21(31-19)23-11-14(2)17(24)9-20(23)25;1-12(2)31-18(26)15-7-5-4-6-14(15)10-29-34(28)30-11-16-17(33-34)21(22,23)19(32-16)25-9-8-13(3)24-20(25)27;1-12(2)30-20(25)15-7-5-4-6-14(15)10-28-33(27)29-11-16-18(32-33)17(24)19(31-16)23-9-8-13(3)22-21(23)26;1-13(2)29-21(25)16-6-4-3-5-14(16)11-27-32(26)28-12-18-17(31-32)10-20(30-18)22-8-7-15(23)9-19(22)24;1-3-4-5-6-7-8-9-26-30(25)27-11-15-14(29-30)10-16(28-15)23-12-20-17-18(23)21-13(2)22-19(17)24;20-14-6-8-21-19-18(14)22-12-23(19)17-10-15-16(27-17)11-26-29(24,28-15)25-9-7-13-4-2-1-3-5-13;1-3-4-5-6-7-8-9-12-24-28(23)25-14-17-16(27-28)13-18(26-17)21-11-10-15(2)20-19(21)22;1-3-4-5-6-7-8-9-24-28(23)25-13-17-16(27-28)11-19(26-17)20-12-14(2)15(21)10-18(20)22/h4-9,13,17,19,21H,10-12H2,1-3H3;4-7,11,18-19,21H,3,8-10,12-13H2,1-2H3;4-9,12,16-17,19H,10-11H2,1-3H3;4-9,12,16-19,24H,10-11H2,1-3H3;3-8,13,17-18,20H,9-12H2,1-2H3;12,14-16H,3-11H2,1-2H3,(H,21,22,24);1-6,8,12,15-17H,7,9-11H2,(H2,20,21);10-11,16-18H,3-9,12-14H2,1-2H3;12,16-17,19H,3-11,13H2,1-2H3/t17-,19-,21-,22-,34?;18-,19+,21+,33?;16-,17-,19-,34?;16-,17+,18-,19-,33?;17-,18+,20+,32?;14-,15+,16+,30?;15-,16+,17+,29?;16-,17+,18+,28?;16-,17+,19+,28?/m101100000/s1
• InChIKey: RJPONVVLXZVJAX-CGFVQQNRSA-N
• XLogP: 28.94
• TPSA: 1012.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 81
• Rotatable Bonds: 64
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4109.70
LogP ≤ 5	28.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	81

Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate?

The IUPAC name of 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate (CID 165062158) is 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate.

What is the SMILES notation for 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate?

The canonical SMILES for 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate is CC(C)OC(=O)c1ccccc1COP1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)C[C@@H]2O1.CC(C)OC(=O)c1ccccc1COP1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(F)[C@@H]2O1.CCCCCCCCCOP1(=O)OC[C@H]2O[C@@H](n3ccc(C)nc3=O)C[C@@H]2O1.CCCCCCCCOP1(=O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)CC3=O)C[C@@H]2O1.CCCCCCCCOP1(=O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(C)nc43)C[C@@H]2O1.CCCOC(=O)c1ccccc1COP1(=O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)CC3=O)C[C@@H]2O1.Cc1ccn([C@@H]2O[C@@H]3COP(=O)(OCc4ccccc4C(=O)OC(C)C)O[C@H]3C2(F)F)c(=O)n1.Cc1ccn([C@@H]2O[C@@H]3COP(=O)(OCc4ccccc4C(=O)OC(C)C)O[C@H]3[C@@H]2O)c(=O)n1.Nc1ccnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(OCCc3ccccc3)OC[C@H]2O1.

What is the InChIKey of 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate?

The InChIKey is RJPONVVLXZVJAX-CGFVQQNRSA-N. The full InChI is InChI=1S/C22H25FNO9P.C22H26NO9P.C21H23F2N2O8P.C21H25N2O9P.C21H24NO9P.C19H29N4O6P.C19H21N4O5P.C19H31N2O6P.C19H30NO7P/c1-13(2)31-20(27)16-7-5-4-6-14(16)11-29-34(28)30-12-17-19(33-34)22(3,23)21(32-17)24-9-8-15(25)10-18(24)26;1-3-8-28-22(26)16-7-5-4-6-15(16)12-29-33(27)30-13-19-18(32-33)10-21(31-19)23-11-14(2)17(24)9-20(23)25;1-12(2)31-18(26)15-7-5-4-6-14(15)10-29-34(28)30-11-16-17(33-34)21(22,23)19(32-16)25-9-8-13(3)24-20(25)27;1-12(2)30-20(25)15-7-5-4-6-14(15)10-28-33(27)29-11-16-18(32-33)17(24)19(31-16)23-9-8-13(3)22-21(23)26;1-13(2)29-21(25)16-6-4-3-5-14(16)11-27-32(26)28-12-18-17(31-32)10-20(30-18)22-8-7-15(23)9-19(22)24;1-3-4-5-6-7-8-9-26-30(25)27-11-15-14(29-30)10-16(28-15)23-12-20-17-18(23)21-13(2)22-19(17)24;20-14-6-8-21-19-18(14)22-12-23(19)17-10-15-16(27-17)11-26-29(24,28-15)25-9-7-13-4-2-1-3-5-13;1-3-4-5-6-7-8-9-12-24-28(23)25-14-17-16(27-28)13-18(26-17)21-11-10-15(2)20-19(21)22;1-3-4-5-6-7-8-9-24-28(23)25-13-17-16(27-28)11-19(26-17)20-12-14(2)15(21)10-18(20)22/h4-9,13,17,19,21H,10-12H2,1-3H3;4-7,11,18-19,21H,3,8-10,12-13H2,1-2H3;4-9,12,16-17,19H,10-11H2,1-3H3;4-9,12,16-19,24H,10-11H2,1-3H3;3-8,13,17-18,20H,9-12H2,1-2H3;12,14-16H,3-11H2,1-2H3,(H,21,22,24);1-6,8,12,15-17H,7,9-11H2,(H2,20,21);10-11,16-18H,3-9,12-14H2,1-2H3;12,16-17,19H,3-11,13H2,1-2H3/t17-,19-,21-,22-,34?;18-,19+,21+,33?;16-,17-,19-,34?;16-,17+,18-,19-,33?;17-,18+,20+,32?;14-,15+,16+,30?;15-,16+,17+,29?;16-,17+,18+,28?;16-,17+,19+,28?/m101100000/s1.

What are the key properties of 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate?

1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate has a molecular weight of 4109.70 g/mol, XLogP of 28.94, 64 rotatable bonds, 3 hydrogen bond donors, and 81 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4aR,6R,7aS)-2-nonoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-methylpyrimidin-2-one;9-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-methyl-1H-purin-6-one;1-[(4aR,6R,7aS)-2-octoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyridine-2,4-dione;3-[(4aR,6R,7aS)-2-oxo-2-(2-phenylethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]imidazo[4,5-b]pyridin-7-amine;propan-2-yl 2-[[(4aR,6R,7aR)-7,7-difluoro-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7aS)-6-(2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propan-2-yl 2-[[(4aR,6R,7S,7aS)-7-hydroxy-6-(4-methyl-2-oxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate;propyl 2-[[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxo-1-pyridinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]benzoate is sourced from PubChem (CID 165062158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).